Molecule

ID:30242

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄N₂O₄
Molecular Mass
214.21846
Exact Mass
214.09535694
Charge
0
InChI
InChI=1S/C9H14N2O4/c1-2-5-11-8(14)6(10-9(11)15)3-4-7(12)13/h6H,2-5H2,1H3,(H,10,15)(H,12,13)
InChIKey
XZDWEOWBEZCOGF-UHFFFAOYSA-N
Canonic Smiles
CCCN1C(=O)NC(C1=O)CCC(=O)O
Isomeric Smiles
N1(C(=O)NC(C1=O)CCC(=O)O)CCC
Calculated Properties
JChem
Acid pKa
4.2561193
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.4010534
LogD (pH = 7.4)
-3.3609877
Log P
-0.13160051
Molar Refractivity
50.4997
Polarizability
19.678495
Polar Surface Area
86.71
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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